# generated using pymatgen
data_HfSc3(IrRu)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.41930032
_cell_length_b   4.55100300
_cell_length_c   9.09213985
_cell_angle_alpha   90.00000000
_cell_angle_beta   89.99922447
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSc3(IrRu)2
_chemical_formula_sum   'Hf2 Sc6 Ir4 Ru4'
_cell_volume   265.62009229
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Hf  Hf0  1  0.99966770  0.75000000  0.12499792  1.0
  Hf  Hf1  1  0.50023113  0.75000000  0.12500331  1.0
  Sc  Sc2  1  0.00001854  0.25000000  0.37851723  1.0
  Sc  Sc3  1  0.49990090  0.25000000  0.37852112  1.0
  Sc  Sc4  1  0.49981118  0.75000000  0.62499818  1.0
  Sc  Sc5  1  0.00029233  0.75000000  0.62500408  1.0
  Sc  Sc6  1  0.49998323  0.25000000  0.87147794  1.0
  Sc  Sc7  1  0.00010343  0.25000000  0.87147667  1.0
  Ir  Ir8  1  0.74996160  0.25000000  0.12499880  1.0
  Ir  Ir9  1  0.24995580  0.75000000  0.37088408  1.0
  Ir  Ir10  1  0.75003820  0.25000000  0.62499863  1.0
  Ir  Ir11  1  0.25004394  0.75000000  0.87911623  1.0
  Ru  Ru12  1  0.24996360  0.25000000  0.12500426  1.0
  Ru  Ru13  1  0.74996496  0.75000000  0.37007607  1.0
  Ru  Ru14  1  0.25003178  0.25000000  0.62499776  1.0
  Ru  Ru15  1  0.75003468  0.75000000  0.87992372  1.0